3-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-1,3-benzoxazol-2-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C3=CC=CC=C3OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C3=CC=CC=C3OC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c26-21(11-14-25-19-9-4-5-10-20(19)28-22(25)27)24-13-6-12-23(15-16-24)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2